ChemicalBook--->CAS DataBase List--->198283-73-7

198283-73-7

198283-73-7 Structure

198283-73-7 Structure
IdentificationBack Directory
[Name]

ABT-594
[CAS]

198283-73-7
[Synonyms]

ABT-59
CS-2417
ABT-594
Ebanicline
198283-73-7
Tebanicline
ABT594;ABT 594
ABT 594,Tebanicline
Tebanicline(ABT-594)
(R)-5-(azetidin-2-ylmethoxy)-2-chloropyridine
5-[[(2R)-azetidin-2-yl]methoxy]-2-chloropyridine
Pyridine, 5-[(2R)-2-azetidinylmethoxy]-2-chloro-
[Molecular Formula]

C9H11ClN2O
[MOL File]

198283-73-7.mol
[Molecular Weight]

198.652
Chemical PropertiesBack Directory
[Melting point ]

116-117 °C
[Boiling point ]

321.1±22.0 °C(Predicted)
[density ]

1.228±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C
[solubility ]

H2O: 2 mg/mL, clear
[form ]

powder
[pka]

10.05±0.40(Predicted)
[color ]

white to beige
[Water Solubility ]

H2O: 2mg/mL, clear
[InChI]

1S/C9H11ClN2O/c10-9-2-1-8(5-12-9)13-6-7-3-4-11-7/h1-2,5,7,11H,3-4,6H2/t7-/m1/s1
[InChIKey]

MKTAGSRKQIGEBH-SSDOTTSWSA-N
[SMILES]

Clc1ncc(cc1)OC[C@@H]2NCC2
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictograms
GHS07
[Signal word ]

Warning
[Hazard statements ]

H336
[Precautionary statements ]

P261-P271-P304+P340+P312-P403+P233-P405-P501
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

STOT SE 3
[Toxicity]

mouse,LD50,intraperitoneal,3794ug/kg (3.794mg/kg),BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD,European Journal of Pharmacology. Vol. 346, Pg. 23, 1998.
Hazard InformationBack Directory
[Uses]

Analgesic (cholinergic channel modulator).
[Biological Activity]

Tebanicline (ABT-594) is a partial agonist at neural nicotinic acetylcholine receptorsbinding to both the α3β4 and the α4β2 subtypes. It is a less toxic analog of epibatidine with potent antinociceptive effects.
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